Structure of PDB 3gn1 Chain D

Receptor sequence
>3gn1D (length=250) Species: 5702 (Trypanosoma brucei brucei) [Search protein sequence]
EAPAAVVTGAAKRIGRAIAVKLHQTGYRVVIHYHNSAEAAVSLADELNKE
RSNTAVVCQADLTNSNVLPASCEEIINSCFRAFGRCDVLVNNASAFYPTP
LVQGKTVETQVAELIGTNAIAPFLLTMSFAQRQSNLSIVNLCDAMVDQPC
MAFSLYNMGKHALVGLTQSAALELAPYGIRVNGVAPGVSLLPVAMGEEEK
DKWRRKVPLGRREASAEQIADAVIFLVSGSAQYITGSIIKVDGGLSLVHA
3D structure
PDB3gn1 One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening.
ChainD
Resolution2.0 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) R14 D161 Y174 K178
Catalytic site (residue number reindexed from 1) R13 D143 Y156 K160
Enzyme Commision number ?
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 NAP D R14 I15 Y34 H35 N36 S37 L63 N93 A94 S95 T126 L159 C160 D161 K178 P204 G205 S207 R13 I14 Y33 H34 N35 S36 L62 N92 A93 S94 T117 L141 C142 D143 K160 P186 G187 S189
BS02 AX7 D F97 Y174 F96 Y156 MOAD: Ki=288uM
BindingDB: Ki=288000nM
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
GO:0047040 pteridine reductase activity

View graph for
Molecular Function
External links
PDB RCSB:3gn1, PDBe:3gn1, PDBj:3gn1
PDBsum3gn1
PubMed19527033
UniProtO76290

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